#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a5l n GLU 2 N 0.00 -4.54 -2.25 0.03 4.71 -1.26 -4.91 120.64 112.41 1a5l n GLU 2 Ca 0.00 0.76 -0.42 0.00 -0.01 0.00 0.00 57.16 57.49 1a5l n GLU 2 Cb 0.00 -5.52 -0.03 0.00 -1.01 0.00 0.00 31.44 24.88 1a5l n GLU 2 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1a5l s LEU 3 N -6.20 4.33 0.79 -4.62 1.43 -1.26 -5.02 118.68 108.13 1a5l s LEU 3 Ca 0.16 2.13 -0.10 0.00 -1.03 0.00 0.00 54.13 55.30 1a5l s LEU 3 Cb -0.03 -3.57 0.10 0.00 0.03 0.00 0.00 46.19 42.72 1a5l s LEU 3 CO 0.77 -0.66 1.13 0.42 0.23 0.00 0.00 176.35 178.23 1a5l s THR 4 N 1.89 2.13 0.29 5.49 -4.23 -1.26 -4.91 115.64 115.04 1a5l s THR 4 Ca 0.63 -0.17 -0.02 0.00 -1.18 0.00 0.00 61.69 60.95 1a5l s THR 4 Cb -0.32 -2.96 0.23 0.00 1.34 0.00 0.00 72.50 70.79 1a5l s THR 4 CO 0.27 0.00 1.93 -0.65 -0.54 0.00 0.00 174.62 175.63 1a5l h PRO 5 N -0.95 1.03 -0.24 3.99 0.11 -1.99 -2.65 132.00 131.31 1a5l h PRO 5 Ca -0.44 -0.10 -0.06 0.00 0.11 0.00 0.00 66.00 65.51 1a5l h PRO 5 Cb 1.30 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1a5l h PRO 5 CO 0.55 0.74 -0.13 0.07 -0.21 0.00 0.00 178.00 179.02 1a5l h ARG 6 N 1.04 0.39 -0.16 1.05 0.11 -1.99 0.12 114.38 114.95 1a5l h ARG 6 Ca 0.27 -0.10 -0.15 0.00 0.10 0.00 0.00 59.98 60.10 1a5l h ARG 6 Cb -0.01 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 31.03 1a5l h ARG 6 CO -0.05 0.52 -0.47 0.93 0.10 0.00 0.00 179.97 181.00 1a5l h GLU 7 N 0.37 0.61 -0.31 0.08 5.08 -1.89 -1.89 114.58 116.63 1a5l h GLU 7 Ca 0.07 -0.44 -0.05 0.00 -1.00 0.00 0.00 59.36 57.94 1a5l h GLU 7 Cb 0.45 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 1a5l h GLU 7 CO 0.03 1.06 -0.04 0.87 -1.00 0.00 0.00 179.01 179.92 1a5l h LYS 8 N 0.27 0.48 -0.25 2.33 1.57 -1.27 -2.35 116.57 117.36 1a5l h LYS 8 Ca -0.01 -0.11 -0.06 0.00 -1.87 0.00 0.00 60.65 58.60 1a5l h LYS 8 Cb 1.09 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.33 1a5l h LYS 8 CO 0.10 0.55 -0.07 0.22 -0.57 0.00 0.00 179.45 179.68 1a5l h ASP 9 N 0.46 0.50 0.23 0.86 3.58 -0.82 -2.54 116.42 118.69 1a5l h ASP 9 Ca 0.10 -0.37 -0.01 0.00 0.42 0.00 0.00 57.03 57.17 1a5l h ASP 9 Cb 0.37 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 41.28 1a5l h ASP 9 CO 0.02 0.76 -0.03 0.11 -2.88 0.00 0.00 179.24 177.21 1a5l h LYS 10 N 0.24 0.00 0.00 0.28 1.79 -0.98 -0.12 116.57 117.78 1a5l h LYS 10 Ca 0.06 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.47 1a5l h LYS 10 Cb 0.54 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.18 1a5l h LYS 10 CO 0.03 0.03 -0.32 -0.07 -1.08 0.00 0.00 179.45 178.04 1a5l h LEU 11 N 0.00 0.00 -0.42 2.94 3.38 -0.99 -0.96 115.31 119.26 1a5l h LEU 11 Ca -0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1a5l h LEU 11 Cb 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1a5l h LEU 11 CO 0.00 0.32 -0.15 0.25 0.09 0.00 0.00 178.44 178.95 1a5l h LEU 12 N 0.00 0.86 -0.31 1.67 6.46 -1.00 -2.07 115.31 120.90 1a5l h LEU 12 Ca -0.00 -0.38 -0.03 0.00 -0.12 0.00 0.00 57.88 57.34 1a5l h LEU 12 Cb 0.60 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 40.28 1a5l h LEU 12 CO 0.04 1.05 0.07 0.25 -0.62 0.00 0.00 178.44 179.22 1a5l h LEU 13 N 0.66 0.49 -0.18 2.25 5.85 -1.37 -0.18 115.31 122.82 1a5l h LEU 13 Ca 0.10 -0.24 0.03 0.00 0.84 0.00 0.00 57.88 58.61 1a5l h LEU 13 Cb 0.70 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 1a5l h LEU 13 CO 0.05 0.60 0.00 0.15 -0.34 0.00 0.00 178.44 178.91 1a5l h PHE 14 N 0.35 -0.00 -0.73 1.25 3.57 -1.15 -0.51 116.94 119.72 1a5l h PHE 14 Ca 0.10 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.55 1a5l h PHE 14 Cb 0.31 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.05 1a5l h PHE 14 CO 0.02 -0.02 0.21 1.15 -2.23 0.00 0.00 178.31 177.43 1a5l h THR 15 N 0.06 1.26 -0.87 4.41 2.02 -1.27 -1.26 112.91 117.26 1a5l h THR 15 Ca 0.09 -0.93 0.02 0.00 0.77 0.00 0.00 66.41 66.35 1a5l h THR 15 Cb 0.10 0.48 -0.05 0.00 -1.74 0.00 0.00 68.15 66.95 1a5l h THR 15 CO -0.14 0.36 0.57 0.00 0.37 0.00 0.00 175.52 176.68 1a5l h ALA 16 N 1.11 1.12 -0.10 6.16 0.00 -0.55 -1.73 119.26 125.27 1a5l h ALA 16 Ca 0.23 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 1a5l h ALA 16 Cb 0.33 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1a5l h ALA 16 CO -0.00 0.47 -0.36 0.00 0.00 0.00 0.00 179.25 179.36 1a5l h ALA 17 N 1.34 1.23 -0.56 0.00 0.00 -0.64 -2.71 119.26 117.91 1a5l h ALA 17 Ca 0.33 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1a5l h ALA 17 Cb -0.08 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1a5l h ALA 17 CO -0.09 0.53 0.29 -0.07 0.00 0.00 0.00 179.25 179.91 1a5l h LEU 18 N 0.17 0.70 0.09 0.00 3.38 -0.32 0.54 115.31 119.87 1a5l h LEU 18 Ca 0.02 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1a5l h LEU 18 Cb 0.71 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1a5l h LEU 18 CO 0.05 0.58 -0.04 0.58 0.09 0.00 0.00 178.44 179.71 1a5l h VAL 19 N 0.79 1.08 -0.22 1.22 2.07 -1.24 -2.77 116.25 117.17 1a5l h VAL 19 Ca 0.20 -0.62 0.03 0.00 0.82 0.00 0.00 66.70 67.13 1a5l h VAL 19 Cb 0.06 1.48 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 1a5l h VAL 19 CO -0.03 0.15 0.05 0.00 0.02 0.00 0.00 177.57 177.76 1a5l h ALA 20 N 0.49 0.23 -0.61 1.67 0.00 -1.19 -2.50 119.26 117.36 1a5l h ALA 20 Ca -0.01 0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.04 1a5l h ALA 20 Cb 0.34 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.08 1a5l h ALA 20 CO 0.02 -0.37 0.16 1.49 0.00 0.00 0.00 179.25 180.55 1a5l h GLU 21 N 0.14 0.29 -0.50 0.00 4.81 -0.91 -0.76 114.58 117.65 1a5l h GLU 21 Ca 0.10 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.22 1a5l h GLU 21 Cb 0.09 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 1a5l h GLU 21 CO -0.13 0.19 -0.06 0.00 -0.73 0.00 0.00 179.01 178.28 1a5l h ARG 22 N 0.30 0.89 -0.55 1.92 3.08 -1.24 -2.31 114.38 116.47 1a5l h ARG 22 Ca 0.32 -0.29 -0.10 0.00 0.07 0.00 0.00 59.98 59.98 1a5l h ARG 22 Cb 0.46 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 1a5l h ARG 22 CO -0.38 0.93 -0.05 0.00 -1.07 0.00 0.00 179.97 179.40 1a5l h ARG 23 N 0.81 1.00 -0.55 0.04 3.08 -0.88 -2.39 114.38 115.49 1a5l h ARG 23 Ca 0.14 -0.34 -0.05 0.00 0.07 0.00 0.00 59.98 59.80 1a5l h ARG 23 Cb 0.57 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.52 1a5l h ARG 23 CO 0.03 1.02 0.15 1.25 -1.07 0.00 0.00 179.97 181.36 1a5l h LEU 24 N 0.88 0.78 -1.29 3.04 5.85 -1.05 -1.72 115.31 121.79 1a5l h LEU 24 Ca 0.15 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 1a5l h LEU 24 Cb 0.60 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 1a5l h LEU 24 CO 0.04 0.75 0.14 0.00 -0.34 0.00 0.00 178.44 179.03 1a5l h ALA 25 N 1.35 1.44 0.00 1.25 0.00 -1.07 -0.23 119.26 122.00 1a5l h ALA 25 Ca 0.18 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1a5l h ALA 25 Cb 0.27 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1a5l h ALA 25 CO -0.00 0.42 0.00 0.54 0.00 0.00 0.00 179.25 180.20 1a5l n ARG 26 N -4.34 0.13 -0.51 0.00 1.74 -0.71 -4.89 116.66 108.09 1a5l n ARG 26 Ca 0.03 0.27 0.00 0.00 -0.77 0.00 0.00 57.85 57.38 1a5l n ARG 26 Cb 0.17 -1.71 0.00 0.00 -1.02 0.00 0.00 32.46 29.90 1a5l n ARG 26 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1a5l n GLY 27 N 0.50 1.00 3.86 -0.13 0.00 -0.10 -5.07 105.19 105.25 1a5l n GLY 27 Ca 0.04 -0.38 -0.32 0.00 0.00 0.00 0.00 46.02 45.36 1a5l n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a5l s LEU 28 N 0.00 4.02 -0.19 0.99 1.43 -0.85 -5.02 118.68 119.06 1a5l s LEU 28 Ca 0.00 1.24 -0.26 0.00 -1.03 0.00 0.00 54.13 54.07 1a5l s LEU 28 Cb 0.00 -4.05 -0.01 0.00 0.03 0.00 0.00 46.19 42.16 1a5l s LEU 28 CO 0.00 -0.24 0.89 -0.54 0.23 0.00 0.00 176.35 176.68 1a5l s LYS 29 N -3.16 4.28 0.55 1.70 1.02 -1.26 -4.52 119.74 118.35 1a5l s LYS 29 Ca 0.53 1.10 -0.18 0.00 0.02 0.00 0.00 55.97 57.44 1a5l s LYS 29 Cb -0.10 -3.60 -0.05 0.00 -0.52 0.00 0.00 37.83 33.55 1a5l s LYS 29 CO 0.20 -0.42 1.09 -0.51 -0.92 0.00 0.00 175.35 174.78 1a5l s LEU 30 N 2.48 3.68 0.00 3.17 1.43 -0.30 -4.41 118.68 124.73 1a5l s LEU 30 Ca 0.40 2.01 0.01 0.00 -1.03 0.00 0.00 54.13 55.52 1a5l s LEU 30 Cb -0.16 -4.56 0.04 0.00 0.03 0.00 0.00 46.19 41.54 1a5l s LEU 30 CO 0.11 -1.13 0.32 -0.46 0.23 0.00 0.00 176.35 175.42 1a5l n ASN 31 N -1.48 0.60 0.34 2.29 0.23 -1.26 -0.23 115.26 115.74 1a5l n ASN 31 Ca 0.10 -1.47 -0.17 0.00 -0.53 0.00 0.00 54.58 52.52 1a5l n ASN 31 Cb 0.52 -0.20 -0.09 0.00 -2.08 0.00 0.00 39.78 37.94 1a5l n ASN 31 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 1a5l h TYR 32 N -0.24 -1.20 -0.41 -2.53 3.20 -1.96 -1.76 116.97 112.08 1a5l h TYR 32 Ca -0.11 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.73 1a5l h TYR 32 Cb 0.44 0.44 -0.02 0.00 1.54 0.00 0.00 36.73 39.13 1a5l h TYR 32 CO 0.00 -0.63 0.12 -1.00 -1.64 0.00 0.00 178.16 175.01 1a5l h PRO 33 N -1.01 0.59 -0.39 1.82 0.13 -2.00 -2.76 132.00 128.38 1a5l h PRO 33 Ca -0.08 -0.09 -0.01 0.00 -0.87 0.00 0.00 66.00 64.95 1a5l h PRO 33 Cb 0.83 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 31.84 1a5l h PRO 33 CO 0.04 0.52 0.20 0.93 -0.23 0.00 0.00 178.00 179.46 1a5l h GLU 34 N 0.58 0.55 -0.17 0.86 5.08 -1.92 -1.96 114.58 117.60 1a5l h GLU 34 Ca 0.14 -0.08 0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1a5l h GLU 34 Cb 0.19 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1a5l h GLU 34 CO -0.01 0.47 0.07 0.77 -1.00 0.00 0.00 179.01 179.32 1a5l h SER 35 N 0.49 0.10 -0.41 1.42 0.02 -1.05 -1.32 113.55 112.80 1a5l h SER 35 Ca 0.13 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1a5l h SER 35 Cb 0.10 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 1a5l h SER 35 CO -0.02 0.08 0.26 0.58 -1.14 0.00 0.00 176.83 176.59 1a5l h VAL 36 N 0.16 1.12 -0.34 2.27 2.07 -1.39 -1.78 116.25 118.37 1a5l h VAL 36 Ca 0.07 -0.25 0.01 0.00 0.82 0.00 0.00 66.70 67.35 1a5l h VAL 36 Cb 0.03 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 1a5l h VAL 36 CO -0.06 0.12 0.20 0.00 0.02 0.00 0.00 177.57 177.85 1a5l h ALA 37 N 1.13 0.42 -0.18 1.67 0.00 -1.21 -0.01 119.26 121.09 1a5l h ALA 37 Ca 0.15 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1a5l h ALA 37 Cb -0.03 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1a5l h ALA 37 CO -0.03 -0.15 0.06 1.25 0.00 0.00 0.00 179.25 180.39 1a5l h LEU 38 N 0.41 0.25 -0.39 0.00 5.85 -1.04 -1.82 115.31 118.57 1a5l h LEU 38 Ca 0.13 -0.18 -0.18 0.00 0.84 0.00 0.00 57.88 58.49 1a5l h LEU 38 Cb -0.01 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 40.96 1a5l h LEU 38 CO -0.06 0.36 -0.63 0.40 -0.34 0.00 0.00 178.44 178.17 1a5l h ILE 39 N 0.12 1.32 -0.37 4.05 2.04 -1.30 -2.77 117.51 120.61 1a5l h ILE 39 Ca 0.06 -1.90 -0.01 0.00 1.00 0.00 0.00 64.86 64.01 1a5l h ILE 39 Cb 0.19 1.86 -0.02 0.00 -0.74 0.00 0.00 36.82 38.12 1a5l h ILE 39 CO -0.00 0.59 0.20 0.28 0.00 0.00 0.00 178.15 179.22 1a5l h SER 40 N 0.45 0.46 0.00 1.72 0.02 -0.95 -2.57 113.55 112.68 1a5l h SER 40 Ca -0.01 -0.09 -0.08 0.00 -0.84 0.00 0.00 61.79 60.77 1a5l h SER 40 Cb 1.21 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.62 1a5l h SER 40 CO 0.12 0.41 -0.23 0.00 -1.14 0.00 0.00 176.83 176.00 1a5l h ALA 41 N 1.06 1.23 -0.18 3.77 0.00 -1.37 -2.41 119.26 121.35 1a5l h ALA 41 Ca 0.13 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 54.76 1a5l h ALA 41 Cb 0.06 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1a5l h ALA 41 CO -0.02 0.50 -0.02 0.35 0.00 0.00 0.00 179.25 180.07 1a5l h PHE 42 N 0.34 -0.04 -0.71 0.00 3.57 -1.17 -1.90 116.94 117.03 1a5l h PHE 42 Ca 0.06 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.53 1a5l h PHE 42 Cb 0.59 0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.35 1a5l h PHE 42 CO 0.02 -0.05 0.28 0.82 -2.23 0.00 0.00 178.31 177.15 1a5l h ILE 43 N 0.04 1.25 -0.77 1.41 2.04 -1.26 -1.67 117.51 118.54 1a5l h ILE 43 Ca 0.09 -0.79 0.03 0.00 1.00 0.00 0.00 64.86 65.19 1a5l h ILE 43 Cb 0.12 0.43 -0.05 0.00 -0.74 0.00 0.00 36.82 36.58 1a5l h ILE 43 CO -0.16 0.32 0.49 0.24 0.00 0.00 0.00 178.15 179.04 1a5l h MET 44 N 1.02 0.94 0.00 2.37 2.86 -1.03 -0.98 114.93 120.10 1a5l h MET 44 Ca 0.24 -0.06 -0.08 0.00 -2.06 0.00 0.00 59.70 57.74 1a5l h MET 44 Cb 0.22 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 1a5l h MET 44 CO -0.02 0.62 -0.37 0.93 1.06 0.00 0.00 176.91 179.13 1a5l h GLU 45 N 0.96 0.00 -0.49 1.72 4.39 -1.06 -2.14 114.58 117.96 1a5l h GLU 45 Ca 0.31 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.93 1a5l h GLU 45 Cb 0.01 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.64 1a5l h GLU 45 CO -0.11 0.37 -0.02 0.78 -1.16 0.00 0.00 179.01 178.88 1a5l h GLY 46 N 1.89 0.95 1.28 -3.84 0.00 -0.26 -1.70 103.07 101.38 1a5l h GLY 46 Ca -0.00 -0.71 -0.11 0.00 0.00 0.00 0.00 47.33 46.50 1a5l h GLY 46 CO 0.05 0.66 -0.18 0.00 0.00 0.00 0.00 176.54 177.06 1a5l h ALA 47 N 0.92 0.87 -0.62 3.60 0.00 -1.06 -1.67 119.26 121.31 1a5l h ALA 47 Ca 0.14 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1a5l h ALA 47 Cb 0.54 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1a5l h ALA 47 CO 0.03 0.64 0.39 -0.09 0.00 0.00 0.00 179.25 180.22 1a5l h ARG 48 N 0.73 0.82 0.00 0.00 9.65 -1.11 -0.98 114.38 123.50 1a5l h ARG 48 Ca 0.11 -0.06 -0.01 0.00 -1.10 0.00 0.00 59.98 58.92 1a5l h ARG 48 Cb 0.70 -0.18 -0.00 0.00 -1.39 0.00 0.00 29.97 29.10 1a5l h ARG 48 CO 0.05 0.56 -0.05 -0.44 2.80 0.00 0.00 179.97 182.89 1a5l h ASP 49 N 0.84 0.00 0.00 -3.80 3.32 -0.89 -3.47 116.42 112.42 1a5l h ASP 49 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 1a5l h ASP 49 Cb -0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.48 1a5l h ASP 49 CO -0.05 0.05 0.00 0.61 -1.72 0.00 0.00 179.24 178.14 1a5l n GLY 50 N 0.40 0.94 3.79 2.75 0.00 -0.37 -5.08 105.19 107.63 1a5l n GLY 50 Ca 0.02 -0.08 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 1a5l n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a5l s LYS 51 N -0.40 2.89 0.45 1.61 1.02 -0.69 -4.96 119.74 119.66 1a5l s LYS 51 Ca 0.00 1.18 -0.08 0.00 0.02 0.00 0.00 55.97 57.10 1a5l s LYS 51 Cb 0.00 -1.98 -0.05 0.00 -0.52 0.00 0.00 37.83 35.29 1a5l s LYS 51 CO 0.00 -1.15 0.79 -1.54 -0.92 0.00 0.00 175.35 172.53 1a5l s SER 52 N -3.09 6.37 0.20 2.83 1.04 -1.26 -4.63 113.70 115.16 1a5l s SER 52 Ca 0.63 1.04 -0.12 0.00 0.48 0.00 0.00 55.95 57.97 1a5l s SER 52 Cb -0.17 -2.29 0.23 0.00 0.10 0.00 0.00 66.02 63.90 1a5l s SER 52 CO 0.46 -0.51 1.68 0.58 0.98 0.00 0.00 173.24 176.43 1a5l h VAL 53 N 0.57 0.57 -0.63 5.02 2.07 -1.97 -2.12 116.25 119.77 1a5l h VAL 53 Ca -0.47 -0.04 0.08 0.00 0.82 0.00 0.00 66.70 67.08 1a5l h VAL 53 Cb 1.20 0.43 -0.06 0.00 -1.52 0.00 0.00 31.29 31.34 1a5l h VAL 53 CO 0.63 0.02 0.30 0.00 0.02 0.00 0.00 177.57 178.54 1a5l h ALA 54 N 1.49 0.84 -0.20 1.67 0.00 -1.99 -0.61 119.26 120.46 1a5l h ALA 54 Ca 0.28 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 1a5l h ALA 54 Cb 0.43 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1a5l h ALA 54 CO -0.45 -0.08 0.07 0.77 0.00 0.00 0.00 179.25 179.57 1a5l h SER 55 N 0.54 0.28 -0.55 0.00 0.02 -1.79 -3.02 113.55 109.03 1a5l h SER 55 Ca 0.30 -0.18 -0.04 0.00 -0.84 0.00 0.00 61.79 61.04 1a5l h SER 55 Cb 0.29 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.73 1a5l h SER 55 CO -0.24 0.38 0.21 -0.07 -1.14 0.00 0.00 176.83 175.97 1a5l h LEU 56 N 0.16 0.80 -2.58 5.07 3.38 -1.01 0.06 115.31 121.19 1a5l h LEU 56 Ca 0.07 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.93 1a5l h LEU 56 Cb 0.19 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1a5l h LEU 56 CO -0.00 0.74 0.04 0.24 0.09 0.00 0.00 178.44 179.54 1a5l h MET 57 N 0.86 0.00 0.00 1.13 2.86 -0.99 0.15 114.93 118.93 1a5l h MET 57 Ca 0.20 0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 57.55 1a5l h MET 57 Cb 0.21 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.83 1a5l h MET 57 CO -0.01 0.00 -1.60 -1.91 1.06 0.00 0.00 176.91 174.45 1a5l n GLU 58 N -3.58 0.57 0.24 1.72 4.07 -0.78 -4.39 120.64 118.49 1a5l n GLU 58 Ca -0.02 0.49 0.07 0.00 -0.06 0.00 0.00 57.16 57.64 1a5l n GLU 58 Cb 0.12 -1.67 0.60 0.00 -0.06 0.00 0.00 31.44 30.43 1a5l n GLU 58 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 1a5l h GLU 59 N -1.00 0.04 0.00 5.31 5.08 -0.62 -1.80 114.58 121.59 1a5l h GLU 59 Ca -0.44 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.91 1a5l h GLU 59 Cb 1.37 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.61 1a5l h GLU 59 CO -0.26 0.06 -0.06 0.78 -1.00 0.00 0.00 179.01 178.52 1a5l h GLY 60 N 0.13 0.00 0.63 -3.84 0.00 -0.92 -1.60 103.07 97.48 1a5l h GLY 60 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1a5l h GLY 60 CO 0.00 0.00 -0.01 0.54 0.00 0.00 0.00 176.54 177.07 1a5l n ARG 61 N -3.64 1.13 -0.27 4.80 1.74 -0.67 -3.65 116.66 116.09 1a5l n ARG 61 Ca -0.02 -0.27 0.08 0.00 -0.77 0.00 0.00 57.85 56.87 1a5l n ARG 61 Cb 0.17 -1.49 0.14 0.00 -1.02 0.00 0.00 32.46 30.26 1a5l n ARG 61 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1a5l n HIS 62 N -0.70 0.00 -0.06 -1.55 8.25 -0.60 -4.70 115.22 115.86 1a5l n HIS 62 Ca 0.22 -1.04 -0.16 0.00 -0.26 0.00 0.00 57.72 56.47 1a5l n HIS 62 Cb 0.19 -0.17 -0.13 0.00 1.12 0.00 0.00 29.99 31.01 1a5l n HIS 62 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1a5l h VAL 63 N 0.92 1.56 -3.91 1.59 2.07 -1.65 -3.47 116.25 113.36 1a5l h VAL 63 Ca -0.01 -2.33 -0.48 0.00 0.82 0.00 0.00 66.70 64.70 1a5l h VAL 63 Cb 1.05 3.11 -0.21 0.00 -1.52 0.00 0.00 31.29 33.72 1a5l h VAL 63 CO 0.00 0.56 -0.80 -0.76 0.02 0.00 0.00 177.57 176.59 1a5l s LEU 64 N -8.09 2.30 0.37 2.57 1.43 -1.26 -5.11 118.68 110.88 1a5l s LEU 64 Ca -0.21 -0.66 0.08 0.00 -1.03 0.00 0.00 54.13 52.31 1a5l s LEU 64 Cb -0.00 -0.70 -0.06 0.00 0.03 0.00 0.00 46.19 45.46 1a5l s LEU 64 CO 0.69 -0.02 0.04 0.42 0.23 0.00 0.00 176.35 177.71 1a5l s THR 65 N -1.28 2.42 0.49 5.49 -4.23 -1.26 -4.44 115.64 112.83 1a5l s THR 65 Ca 0.03 -1.94 0.21 0.00 -1.18 0.00 0.00 61.69 58.81 1a5l s THR 65 Cb -0.10 -2.86 0.38 0.00 1.34 0.00 0.00 72.50 71.27 1a5l s THR 65 CO 0.03 -0.13 1.96 -0.09 -0.54 0.00 0.00 174.62 175.85 1a5l h ARG 66 N 1.75 0.17 -0.00 3.99 2.43 -1.88 -0.56 114.38 120.28 1a5l h ARG 66 Ca -0.43 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 1a5l h ARG 66 Cb 1.25 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 1a5l h ARG 66 CO 0.70 0.12 -0.01 -0.85 -1.51 0.00 0.00 179.97 178.42 1a5l n GLU 67 N -4.42 0.41 0.00 0.20 0.00 -1.26 -3.31 120.64 112.26 1a5l n GLU 67 Ca 0.12 -0.01 0.10 0.00 0.00 0.00 0.00 57.16 57.37 1a5l n GLU 67 Cb 0.59 -1.50 -0.03 0.00 0.00 0.00 0.00 31.44 30.50 1a5l n GLU 67 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1a5l n GLN 68 N -1.29 1.22 -4.44 3.44 6.02 -0.22 -4.97 117.38 117.14 1a5l n GLN 68 Ca 0.14 -0.67 -0.26 0.00 -0.01 0.00 0.00 57.00 56.20 1a5l n GLN 68 Cb 0.25 -1.40 -0.10 0.00 1.02 0.00 0.00 30.24 30.02 1a5l n GLN 68 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1a5l s VAL 69 N -2.40 2.30 0.76 5.09 -7.23 -1.21 -1.15 120.40 116.55 1a5l s VAL 69 Ca 0.14 -1.99 -0.11 0.00 -1.81 0.00 0.00 61.98 58.20 1a5l s VAL 69 Cb 0.16 -2.85 0.05 0.00 0.56 0.00 0.00 36.38 34.29 1a5l s VAL 69 CO 0.58 -0.11 1.10 -0.04 -0.31 0.00 0.00 175.10 176.32 1a5l s MET 70 N -3.72 2.33 0.40 4.82 -1.94 0.68 -4.70 119.30 117.17 1a5l s MET 70 Ca 0.35 1.21 -0.27 0.00 -1.71 0.00 0.00 55.69 55.27 1a5l s MET 70 Cb 0.04 -1.90 -0.10 0.00 2.01 0.00 0.00 34.83 34.88 1a5l s MET 70 CO 0.19 -1.60 1.42 -2.00 -0.01 0.00 0.00 175.02 173.02 1a5l s GLU 71 N -4.77 3.97 0.00 2.03 2.12 -1.26 -2.18 118.70 118.61 1a5l s GLU 71 Ca 0.62 2.42 0.00 0.00 0.36 0.00 0.00 54.97 58.38 1a5l s GLU 71 Cb -0.18 -2.85 0.00 0.00 0.26 0.00 0.00 34.13 31.37 1a5l s GLU 71 CO 0.54 -0.59 0.00 0.41 -0.54 0.00 0.00 175.26 175.08 1a5l n GLY 72 N 0.56 2.95 0.16 -1.50 0.00 -1.26 -4.89 105.19 101.22 1a5l n GLY 72 Ca 0.03 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.98 1a5l n GLY 72 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1a5l h VAL 73 N 0.00 0.96 -0.93 1.61 2.07 -1.81 -2.56 116.25 115.59 1a5l h VAL 73 Ca 0.00 -0.12 0.14 0.00 0.82 0.00 0.00 66.70 67.53 1a5l h VAL 73 Cb 0.00 0.56 -0.08 0.00 -1.52 0.00 0.00 31.29 30.26 1a5l h VAL 73 CO 0.00 0.07 0.60 -0.65 0.02 0.00 0.00 177.57 177.60 1a5l h PRO 74 N 0.36 0.77 0.00 1.57 0.11 -1.90 -0.60 132.00 132.31 1a5l h PRO 74 Ca 0.16 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1a5l h PRO 74 Cb 0.09 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.02 1a5l h PRO 74 CO -0.13 0.51 0.00 0.93 -0.21 0.00 0.00 178.00 179.10 1a5l h GLU 75 N 0.79 0.00 -0.00 1.05 3.07 -1.83 -2.98 114.58 114.68 1a5l h GLU 75 Ca 0.47 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.33 1a5l h GLU 75 Cb 0.66 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.57 1a5l h GLU 75 CO -0.24 0.00 -0.08 -1.33 -1.40 0.00 0.00 179.01 175.96 1a5l n MET 76 N -2.60 0.52 -3.62 2.33 2.81 -0.24 -4.43 117.12 111.90 1a5l n MET 76 Ca 0.04 -0.12 -0.27 0.00 -1.81 0.00 0.00 57.70 55.54 1a5l n MET 76 Cb 0.44 -1.50 -0.11 0.00 -0.71 0.00 0.00 33.22 31.34 1a5l n MET 76 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1a5l n ILE 77 N -1.13 0.44 0.31 2.02 5.41 -1.13 -4.95 119.36 120.34 1a5l n ILE 77 Ca 0.14 -4.28 0.16 0.00 1.00 0.00 0.00 62.75 59.76 1a5l n ILE 77 Cb 0.27 -1.96 0.71 0.00 -0.71 0.00 0.00 39.64 37.95 1a5l n ILE 77 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 1a5l h PRO 78 N 5.29 0.00 -2.08 0.38 0.13 -1.77 -3.40 132.00 130.54 1a5l h PRO 78 Ca 0.20 0.00 0.17 0.00 -0.87 0.00 0.00 66.00 65.50 1a5l h PRO 78 Cb 0.81 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 31.81 1a5l h PRO 78 CO 0.58 0.00 0.58 0.16 -0.23 0.00 0.00 178.00 179.08 1a5l s ASP 79 N -5.00 -0.24 -0.05 1.44 1.47 -1.26 -0.53 116.67 112.50 1a5l s ASP 79 Ca 0.01 -0.13 0.01 0.00 1.18 0.00 0.00 52.55 53.61 1a5l s ASP 79 Cb 0.09 0.35 0.02 0.00 -0.34 0.00 0.00 42.92 43.05 1a5l s ASP 79 CO 0.44 -0.61 -0.03 -0.63 0.68 0.00 0.00 175.17 175.02 1a5l s ILE 80 N -2.99 0.45 -0.03 2.11 1.01 0.41 -4.94 121.20 117.24 1a5l s ILE 80 Ca 0.09 -0.05 0.07 0.00 0.00 0.00 0.00 60.65 60.76 1a5l s ILE 80 Cb -0.00 -0.51 -0.02 0.00 0.01 0.00 0.00 42.46 41.94 1a5l s ILE 80 CO -0.05 0.22 -0.23 -1.10 0.00 0.00 0.00 174.94 173.78 1a5l s GLN 81 N 1.12 1.97 -0.10 2.79 -0.21 -1.26 -0.94 119.66 123.02 1a5l s GLN 81 Ca -0.08 -0.82 -0.24 0.00 0.02 0.00 0.00 55.36 54.24 1a5l s GLN 81 Cb -0.14 -1.84 0.06 0.00 1.00 0.00 0.00 33.01 32.09 1a5l s GLN 81 CO -0.01 0.46 0.57 0.54 -2.12 0.00 0.00 175.29 174.73 1a5l s VAL 82 N -0.43 0.01 0.03 1.09 0.11 -0.93 -5.01 120.40 115.27 1a5l s VAL 82 Ca 0.06 -0.10 0.07 0.00 -2.93 0.00 0.00 61.98 59.08 1a5l s VAL 82 Cb -0.10 -0.86 -0.03 0.00 -1.53 0.00 0.00 36.38 33.87 1a5l s VAL 82 CO 0.00 -0.06 -0.20 -1.61 -3.33 0.00 0.00 175.10 169.90 1a5l s GLU 83 N -0.69 2.03 0.16 1.54 2.02 -1.26 -1.52 118.70 120.98 1a5l s GLU 83 Ca -0.08 -0.99 -0.11 0.00 0.02 0.00 0.00 54.97 53.81 1a5l s GLU 83 Cb -0.03 -2.14 0.00 0.00 0.10 0.00 0.00 34.13 32.07 1a5l s GLU 83 CO 0.06 0.54 0.32 0.00 0.02 0.00 0.00 175.26 176.20 1a5l s ALA 84 N -0.86 -0.26 -0.43 5.21 0.00 -1.16 -4.96 121.76 119.29 1a5l s ALA 84 Ca 0.13 -0.68 -0.26 0.00 0.00 0.00 0.00 51.96 51.16 1a5l s ALA 84 Cb -0.10 0.80 0.02 0.00 0.00 0.00 0.00 23.12 23.84 1a5l s ALA 84 CO 0.04 -0.66 0.93 0.99 0.00 0.00 0.00 175.76 177.06 1a5l s THR 85 N -3.93 4.50 0.74 0.00 2.01 -1.26 -2.23 115.64 115.46 1a5l s THR 85 Ca 0.13 0.92 -0.02 0.00 0.31 0.00 0.00 61.69 63.02 1a5l s THR 85 Cb 0.03 -4.41 0.13 0.00 0.01 0.00 0.00 72.50 68.26 1a5l s THR 85 CO -0.03 -0.74 1.02 -0.36 -0.69 0.00 0.00 174.62 173.82 1a5l s PHE 86 N 3.69 1.70 0.56 4.92 0.40 0.14 -4.38 117.98 125.01 1a5l s PHE 86 Ca 0.38 -0.18 0.33 0.00 -0.60 0.00 0.00 56.93 56.86 1a5l s PHE 86 Cb -0.11 -3.10 1.90 0.00 0.51 0.00 0.00 43.02 42.23 1a5l s PHE 86 CO 0.24 -1.75 2.25 -1.35 0.70 0.00 0.00 175.22 175.30 1a5l h PRO 87 N -0.61 0.00 -1.47 0.24 0.11 -1.93 -2.64 132.00 125.70 1a5l h PRO 87 Ca -0.38 0.00 -0.66 0.00 0.11 0.00 0.00 66.00 65.07 1a5l h PRO 87 Cb 1.27 0.00 -0.35 0.00 0.11 0.00 0.00 31.00 32.03 1a5l h PRO 87 CO 0.41 0.02 0.15 -0.40 -0.21 0.00 0.00 178.00 177.97 1a5l n ASP 88 N -3.59 6.23 0.00 -2.05 5.75 -1.26 -5.07 116.55 116.56 1a5l n ASP 88 Ca -0.03 -3.78 0.00 0.00 -0.01 0.00 0.00 54.79 50.98 1a5l n ASP 88 Cb 0.11 -0.74 0.00 0.00 -1.03 0.00 0.00 41.12 39.47 1a5l n ASP 88 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1a5l n GLY 89 N -0.61 -2.08 3.76 6.12 0.00 -0.99 -4.93 105.19 106.45 1a5l n GLY 89 Ca 0.49 -1.62 -0.40 0.00 0.00 0.00 0.00 46.02 44.49 1a5l n GLY 89 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a5l s SER 90 N -3.72 7.50 0.05 1.61 0.01 -1.26 0.26 113.70 118.15 1a5l s SER 90 Ca 0.00 2.01 0.01 0.00 1.31 0.00 0.00 55.95 59.28 1a5l s SER 90 Cb 0.00 -2.61 -0.03 0.00 0.21 0.00 0.00 66.02 63.59 1a5l s SER 90 CO 0.00 0.04 -0.05 -0.54 0.41 0.00 0.00 173.24 173.10 1a5l s LYS 91 N -1.39 0.57 -0.26 12.44 -0.14 -0.95 -4.91 119.74 125.10 1a5l s LYS 91 Ca 0.43 -0.99 -0.09 0.00 -1.36 0.00 0.00 55.97 53.96 1a5l s LYS 91 Cb -0.26 -0.03 -0.04 0.00 -1.68 0.00 0.00 37.83 35.82 1a5l s LYS 91 CO 0.33 -0.04 0.13 -1.17 -0.76 0.00 0.00 175.35 173.85 1a5l s LEU 92 N -2.29 3.81 -0.20 3.17 2.96 -1.26 -2.99 118.68 121.88 1a5l s LEU 92 Ca -0.01 -0.06 -0.06 0.00 -0.22 0.00 0.00 54.13 53.78 1a5l s LEU 92 Cb -0.01 -2.04 -0.03 0.00 0.50 0.00 0.00 46.19 44.61 1a5l s LEU 92 CO -0.04 -0.01 0.03 -0.69 -1.32 0.00 0.00 176.35 174.32 1a5l s VAL 93 N 1.52 4.31 -0.16 1.68 1.01 -0.58 -5.00 120.40 123.18 1a5l s VAL 93 Ca 0.06 -0.19 0.02 0.00 0.00 0.00 0.00 61.98 61.87 1a5l s VAL 93 Cb -0.15 -2.95 0.02 0.00 0.00 0.00 0.00 36.38 33.29 1a5l s VAL 93 CO 0.07 0.43 -0.20 -0.89 0.00 0.00 0.00 175.10 174.51 1a5l s THR 94 N 0.82 1.99 -0.25 3.92 2.01 -1.26 -2.18 115.64 120.69 1a5l s THR 94 Ca 0.02 -0.92 -0.05 0.00 0.31 0.00 0.00 61.69 61.06 1a5l s THR 94 Cb -0.14 -1.79 0.00 0.00 0.01 0.00 0.00 72.50 70.59 1a5l s THR 94 CO 0.02 0.53 0.00 -0.69 -0.69 0.00 0.00 174.62 173.80 1a5l s VAL 95 N 1.08 3.52 0.03 3.82 1.01 -0.12 -4.77 120.40 124.98 1a5l s VAL 95 Ca -0.01 -0.64 -0.18 0.00 0.00 0.00 0.00 61.98 61.14 1a5l s VAL 95 Cb -0.14 -2.72 -0.06 0.00 0.00 0.00 0.00 36.38 33.46 1a5l s VAL 95 CO -0.07 0.26 0.53 -1.00 0.00 0.00 0.00 175.10 174.82 1a5l s HIS 96 N 1.46 3.76 -1.22 5.22 3.76 -1.26 -0.44 115.29 126.57 1a5l s HIS 96 Ca 0.04 1.18 -0.32 0.00 -0.15 0.00 0.00 55.06 55.80 1a5l s HIS 96 Cb -0.16 -2.47 0.04 0.00 1.11 0.00 0.00 32.58 31.10 1a5l s HIS 96 CO -0.01 0.54 0.68 0.09 -0.85 0.00 0.00 174.74 175.19 1a5l n ASN 97 N 2.01 -4.14 0.10 1.40 3.02 0.31 -4.83 115.26 113.13 1a5l n ASN 97 Ca -0.10 -1.27 0.16 0.00 -0.03 0.00 0.00 54.58 53.34 1a5l n ASN 97 Cb 0.51 -1.88 0.68 0.00 -0.61 0.00 0.00 39.78 38.48 1a5l n ASN 97 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1a5l h PRO 98 N -2.54 0.00 -4.95 3.52 0.13 -1.77 -3.39 132.00 123.00 1a5l h PRO 98 Ca -0.71 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 63.76 1a5l h PRO 98 Cb 1.40 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.26 1a5l h PRO 98 CO 0.52 0.00 -0.70 0.42 -0.23 0.00 0.00 178.00 178.01 1a5l s ILE 99 N -5.02 3.53 0.00 -3.56 1.01 -1.26 -4.35 121.20 111.56 1a5l s ILE 99 Ca -0.05 -0.55 0.00 0.00 0.00 0.00 0.00 60.65 60.05 1a5l s ILE 99 Cb 0.19 -2.67 0.00 0.00 0.01 0.00 0.00 42.46 39.98 1a5l s ILE 99 CO 0.70 0.33 0.30 2.30 0.00 0.00 0.00 174.94 178.57